⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL385191 | 0.76 | FFAR3 (0.32) | — | |
| SCHEMBL14762049 | 0.57 | FFAR3 (0.36) | — | |
| Hydrochloric Acid SCHEMBL11303377 | 0.56 | FFAR3 (0.40) | — | |
| SCHEMBL11662657 | 0.55 | FFAR3 (0.46) | — | |
| SCHEMBL14546713 | 0.55 | — | — | |
| SCHEMBL18220604 | 0.55 | — | — | |
| SCHEMBL7573395 | 0.54 | FFAR3 (0.38) | — | |
| Bicarbonate SCHEMBL16668956 | 0.53 | CYP1A2 (0.58) | — | |
| SCHEMBL778222 | 0.49 | FFAR3 (0.45) | — | |
| SCHEMBL3154132 | 0.49 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6753383-B2 | REDUCING FREE ALDEHYDES IN DISPERSIONS, SUSPENSIONS, EMULSIONS AND SOLUTIONS BY SCAVENGING WITH A THIOAMINE COMPOUND; ODORLESS; NONTOXIC; DISCOLORATION INHIBITION; TEXTILES; GASES | CONSORTIUM FUER ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 2004-06-22 | — | — | US | disclosed |
| EP-1216962-B1 | Method for removing free aldehydes | CONSORTIUM ELEKTROCHEM IND (DE) | 2003-10-15 | — | — | EP | disclosed |
| US-20020123543-A1 | Removal of free aldehydes | WACKER CHEMIE AG (DE) | 2002-09-05 | — | — | US | disclosed |
| EP-1216962-A1 | Method for removing free aldehydes | Consortium für elektrochemische Industrie GmbH (DE) | 2002-06-26 | — | — | EP | disclosed |